BIAdb Deacetylthiocolchicine chlorhydrate 1997
From DrugPedia: A Wikipedia for Drug discovery
| BIAdb Deacetylthiocolchicine chlorhydrate 1997
| |
| Systematic (IUPAC) name | |
| (7S)-7-amino-1,2,3-trimethoxy-10-methylsulfanyl-6,7-dihydro-5H-benzo[g]heptalen-9-one hydrochloride | |
| Identifiers | |
| CAS number | ? |
| ATC code | ? |
| PubChem | |
| Chemical data | |
| Formula | C20H24ClNO4S |
| Mol. mass | 409.92686 |
| SMILES | & |
| Pharmacokinetic data | |
| Bioavailability | ? |
| Metabolism | ? |
| Half life | ? |
| Excretion | ? |
| Therapeutic considerations | |
| Pregnancy cat. |
? |
| Legal status | |
| Routes | ? |
Contents |
[edit] Description
[edit] Source
N/A
[edit] Function
Unknown
[edit] General Properties
*Molecular Weight
409.92686
*Exact Mass
409.111457
*Molecular Formula
C20H24ClNO4S
*IUPAC NAME
(7S)-7-amino-1,2,3-trimethoxy-10-methylsulfanyl-6,7-dihydro-5H-benzo[g]heptalen-9-one hydrochloride
*Canonical Smiles
COC1=C(C(=C2C(=C1)CCC(C3=CC(=O)C(=CC=C32)SC)N)OC)OC.Cl
*Isomeric Smiles
COC1=C(C(=C2C(=C1)CC[C@@H](C3=CC(=O)C(=CC=C32)SC)N)OC)OC.Cl
*XLogP
N/A
*Hydrogen bond donor
2
*Hydrogen bond acceptor
5
*Rotational Bond Count
4
*Topological Polar Surface Area
70.8
